Information card for entry 1551715

Structure parameters

• Formula: C8 H12 I N
• Calculated formula: C8 H12 I N
• Title of publication: Crystal Structure of 1,3,5-Trimethylpyridinium iodide
• Authors of publication: BUTTRUS, Nabel H.; TAQA, Amer A.; RUMADTHAN, Eman M. R.; JOHMOTO, Kohei; UEKUSA, Hidehiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 19
• a: 8.985 ± 0.0009 Å
• b: 15.767 ± 0.0016 Å
• c: 6.994 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 990.82 ± 0.16 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No